N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide

C19H13F3N4O — CID 162444825

IUPACN-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)12-7-5-11(6-8-12)15-9-24-17(25-15)18(27)26-16-10-23-14-4-2-1-3-13(14)16/h1-10,23H,(H,24,25)(H,26,27)
InChIKeyHFTZFGDNBCGYGS-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.83
Rot. Bonds3

About N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide

N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 162444825) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID162444825
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC NameN-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)12-7-5-11(6-8-12)15-9-24-17(25-15)18(27)26-16-10-23-14-4-2-1-3-13(14)16/h1-10,23H,(H,24,25)(H,26,27)
InChIKeyHFTZFGDNBCGYGS-UHFFFAOYSA-N
XLogP4.83
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide (CID 162444825) is N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide is O=C(Nc1c[nH]c2ccccc12)c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is HFTZFGDNBCGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)12-7-5-11(6-8-12)15-9-24-17(25-15)18(27)26-16-10-23-14-4-2-1-3-13(14)16/h1-10,23H,(H,24,25)(H,26,27).
What are the key properties of N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide?
N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 4.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 162444825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).